BDBM50265252 (S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino)propan-2-ylcarbamate::CHEMBL502244
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=HUDCDZLLNLJTEW-MHZLTWQESA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterases (Homo sapiens (Human)) | BDBM50265252 ((S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(2-(1,2,3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE | Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50265252 ((S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(2-(1,2,3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S | |||||||||||
More data for this Ligand-Target Pair |